SCHEMBL30286501

SCHEMBL30286501

O=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c2c(Cl)c(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 2/20 0.40
▸ ACLY P53396 14/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ CCR2 P41597 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20354850 1.00 PTGES2 (0.40) PTGES2ACLYCA12CA1CA2
SCHEMBL20354729 0.87 ACLY (0.38) PTGES2ACLYCA12CA1CA2
SCHEMBL30286690 0.87 ACLY (0.38) PTGES2ACLYCA12CA1CA2
SCHEMBL20355177 0.85 ACLY (0.42) PTGES2ACLYCA12CA1CA2
SCHEMBL30286537 0.85 ACLY (0.42) PTGES2ACLYCA12CA1CA2
SCHEMBL30388294 0.84 CCR2 (0.46) PTGES2ACLYCA12CA1CA2
SCHEMBL21545864 0.84 CCR2 (0.46) PTGES2ACLYCA12CA1CA2
SCHEMBL21545942 0.82 CCR2 (0.37) PTGES2ACLYCA12CA1CA2
SCHEMBL30286583 0.82 CCR2 (0.37) PTGES2ACLYCA12CA1CA2
SCHEMBL20354732 0.81 CCR2 (0.42) PTGES2ACLYCA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 — — CN claimed
CN-116283712-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-06-23 — — CN disclosed
CN-116036078-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-05-02 — — CN disclosed
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 — — CN disclosed
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